Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007094

Phytochemical name: Guaia-3,10(14)-dien-11-ol

Synonymous chemical names:
Guaia-3,10(14)-dien-11-ol, guaia-3,10(14)-dien-11-ol

External chemical identifiers:
CID:CID_15227485, ZINC:ZINC000015264373

---

Chemical structure information

SMILES:
CC1=CC[C@H]2[C@H]1C[C@H](CCC2=C)C(O)(C)C

InChI:
InChI=1S/C15H24O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h6,12-14,16H,1,5,7-9H2,2-4H3/t12-,13+,14-/m0/s1

InChIKey:
KOMASUWOXAIAJL-MJBXVCDLSA-N

DeepSMILES:
CC=CC[C@H][C@H]5C[C@H]CCC7=C))))CO)C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC2C=CCC12

Scaffold Graph/Node level:
CC1CCCCC2CCCC12

Scaffold Graph level:
CC1CCCCC2CCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 2.683

---

Chemical structure download