Summary

IMPPAT Phytochemical identifier: IMPHY001887

Phytochemical name: Lyclavatol

Synonymous chemical names:
lyclavatol

External chemical identifiers:
CID:11633800, ZINC:ZINC000035971781

---

Chemical structure information

SMILES:
O[C@H]1CC[C@@H]2[C@]([C@H]1CC[C@H]1[C@@H](O)CC[C@@H]3[C@]1(C)CC[C@H](C3(C)C)O)(C)CC[C@H](C2(C)C)O

InChI:
InChI=1S/C28H50O4/c1-25(2)21-11-9-19(29)17(27(21,5)15-13-23(25)31)7-8-18-20(30)10-12-22-26(3,4)24(32)14-16-28(18,22)6/h17-24,29-32H,7-16H2,1-6H3/t17-,18-,19-,20-,21-,22-,23+,24+,27+,28+/m0/s1

InChIKey:
AGTWEFWCYVDEIC-CTUPTTDZSA-N

DeepSMILES:
O[C@H]CC[C@@H][C@][C@H]6CC[C@H][C@@H]O)CC[C@@H][C@]6C)CC[C@H]C6C)C))O)))))))))))))C)CC[C@H]C6C)C))O

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCCC2CCC1CCCC2CCCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCCC2CCC1CCCC2CCCCC21

Scaffold Graph level:
C1CCC2C(C1)CCCC2CCC1CCCC2CCCCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Onocerane triterpenoids

NP-Likeness score: 1.469

---

Chemical structure download