Summary

IMPPAT Phytochemical identifier: IMPHY015134

Phytochemical name: 10beta-Hydroxycalamenene

Synonymous chemical names:
10β-hydroxycalamenene

External chemical identifiers:
CID:91747399

---

Chemical structure information

SMILES:
CC([C@@H]1CC[C@](c2c1cccc2)(C)O)C

InChI:
InChI=1S/C14H20O/c1-10(2)11-8-9-14(3,15)13-7-5-4-6-12(11)13/h4-7,10-11,15H,8-9H2,1-3H3/t11-,14-/m0/s1

InChIKey:
AHVLIYTXCGGTNY-FZMZJTMJSA-N

DeepSMILES:
CC[C@@H]CC[C@]cc6cccc6))))))C)O)))))C

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.832

---

Chemical structure download