(Q82963151)

English

(1R,3S,4S,4aS,8S,8aR)-8-(Hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)decalin-1,3-diol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3S,4R,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S,4R,4aS,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

OCC1(C)CCCC2(C)C(CCC(=C)C=C)C(O)(C)CC(O)C12

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isomeric SMILES

C[C@@]1(CCC[C@@]2([C@@H]1[C@@H](C[C@]([C@H]2CCC(=C)C=C)(C)O)O)C)CO

0 references

found in taxon

Sideritis arborescens

6 references

stated in

Inhibition of NOS-2 expression in macrophages through the inactivation of NF-kappaB by andalusol.

stated in

Diterpenoids from Sideritis arborescens subsp. Paulii

stated in

Analysis of diterpenoids from Sideritis species by reversed-phase high-performance liquid chromatography

stated in

Andalusol, a diterpenoid with anti-inflammatory activity from Siderits foetens Clemen

stated in

Immunomodulating properties of the diterpene andalusol

stated in

ent-Kauranoid derivatives from Sideritis moorei

Sideritis varoi

1 reference

stated in

Terpenoids from Sideritis varoi subs oriensis

Leonurus

1 reference

stated in

Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds

Sideritis

2 references

stated in

Diterpenoids isolated from Sideritis species protect astrocytes against oxidative stress via Nrf2

stated in

Mitochondrial-targeted protective properties of isolated diterpenoids from sideritis spp. in response to the deleterious changes induced by H2O2.

Leonotis ocymifolia

1 reference

stated in

Complete1H and13C NMR assignments of three labdane diterpenoids isolated fromLeonotis ocymifoliaand six other related compounds

Sideritis bourgeana

1 reference

stated in

Analysis of diterpenoids from Sideritis species by reversed-phase high-performance liquid chromatography

Sideritis leucantha

1 reference

stated in

Analysis of diterpenoids from Sideritis species by reversed-phase high-performance liquid chromatography

Sideritis lasiantha

3 references

stated in

Inhibition of NOS-2 expression in macrophages through the inactivation of NF-kappaB by andalusol.

stated in

Andalusol, a diterpenoid with anti-inflammatory activity from Siderits foetens Clemen

stated in

Immunomodulating properties of the diterpene andalusol

Identifiers

InChI

InChI=1S/C20H34O3/c1-6-14(2)8-9-16-19(4)11-7-10-18(3,13-21)17(19)15(22)12-20(16,5)23/h6,15-17,21-23H,1-2,7-13H2,3-5H3/t15-,16+,17-,18-,19+,20+/m1/s1

0 references

InChIKey

ZKFWEINMPAYZON-FZWBFHRNSA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

ZKFWEINMPAYZON-FZWBFHRNSA-N

SureChEMBL ID

SCHEMBL3669300

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZKFWEINMPAYZON-FZWBFHRNSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZKFWEINMPAYZON-FZWBFHRNSA-N

DSSTOX compound identifier

DTXCID901405179

0 references

(Q82963151)

(1R,3S,4S,4aS,8S,8aR)-8-(Hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)decalin-1,3-diol

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