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(Q82907358)
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Verazine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
1 reference
based on heuristic
inferred from SMILES
(20S,25S)-22,26-iminocholesta-5,22(N)-dien-3beta-ol
1 reference
based on heuristic
inferred from SMILES
mass
397.334464996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,8R,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(1S)-1-[(3R)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
20-Epi-verazine
1 reference
based on heuristic
inferred from InChIKey
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
1 reference
based on heuristic
inferred from InChI
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₃NO
0 references
canonical SMILES
OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C5=NCC(C)CC5)C)C2(C)CC1
0 references
isomeric SMILES
C[C@H]1CCC(=NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
0 references
found in taxon
Eclipta alba
1 reference
stated in
DNA-damaging steroidal alkaloids from Eclipta alba from the suriname rainforest1.
Eclipta prostrata
1 reference
stated in
DNA-damaging steroidal alkaloids from Eclipta alba from the suriname rainforest1.
Veratrum dahuricum
1 reference
stated in
Alkaloids ofVeratrum dahuricum
Anticlea sibirica
1 reference
stated in
Alkaloids ofZygadenus sibiricus. The structure of verazinine
Veratrum maackii
2 references
stated in
Studies on the constituents of Veratrum plants. I. Constituents of Veratrum maackii Reg.; isolation and structure determination of a new alkaloid, maackinine.
stated in
Steroidal alkaloids from Veratrum dahuricum
Veratrum nigrum
1 reference
stated in
Studies on the constituents of Veratrum plants. II. Constituents of Veratrum nigrum L. var. ussuriense. (1). Structure and 1H- and 13C-nuclear magnetic resonance spectra of a new alkaloid, verussurinine, and related alkaloids.
Solanum leucocarpon
1 reference
stated in
DNA damaging steroidal alkaloids from eclipta alba from the suriname rain forest
Solanum velutinum
1 reference
stated in
DNA damaging steroidal alkaloids from eclipta alba from the suriname rain forest
Veratrum album var. oxysepalum
1 reference
stated in
Alkaloids ofVeratrum oxysepalum. III
Zigadenus sibiricus
1 reference
stated in
Alkaloids ofZygadenus sibiricus. The structure of verazinine
Identifiers
InChI
InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1
0 references
InChIKey
VRBNGKPRTHBEIQ-LURFOZDGSA-N
0 references
CAS Registry Number
14320-81-1
0 references
PubChem CID
161052
1 reference
matched by identifier from
InChIKey
InChIKey
VRBNGKPRTHBEIQ-LURFOZDGSA-N
ChEBI ID
230592
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27+/m0/s1
UniChem compound ID
295610
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70931776
1 reference
matched by identifier from
InChIKey
InChIKey
VRBNGKPRTHBEIQ-LURFOZDGSA-N
DSSTOX compound identifier
DTXCID301360480
0 references
LIPID MAPS ID
LMST01150006
1 reference
InChIKey
VRBNGKPRTHBEIQ-LURFOZDGSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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