Summary

IMPPAT Phytochemical identifier: IMPHY007757

Phytochemical name: Anhydrosophoradiol

Synonymous chemical names:
anhydrosophoradiol

External chemical identifiers:
CID:131751693, ChEBI:168114

---

Chemical structure information

SMILES:
OC1CCC2(C(C1(C)C)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)C=C1)C)C)C

InChI:
InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3

InChIKey:
DAYKSLOBCZJGHS-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6C)C))CCCC6CC=CC6C)CCCC6CCC)C)C=C6)))))C)))))))))C)))))C

Functional groups:
CC=C(C)C, CC=CC, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC3C(=CCC4C5CCCCC5CCC34)C2CC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Oleanane triterpenoids, Ursane and Taraxastane triterpenoids

NP-Likeness score: 3.222

---

Chemical structure download