Summary

IMPPAT Phytochemical identifier: IMPHY001126

Phytochemical name: Kairatenol

Synonymous chemical names:
kairatenol

External chemical identifiers:
CID:102285188

---

Chemical structure information

SMILES:
O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@]1([C@@H]2CCCC1(C)C)C)C)C

InChI:
InChI=1S/C30H50O/c1-25(2)15-9-10-20-21-11-12-23-27(5)16-14-24(31)26(3,4)22(27)13-17-30(23,8)29(21,7)19-18-28(20,25)6/h11,20,22-24,31H,9-10,12-19H2,1-8H3/t20-,22+,23-,24+,27+,28+,29-,30-/m1/s1

InChIKey:
MFPHRBDWUYSONT-MWYQNLNLSA-N

DeepSMILES:
O[C@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6CC=C[C@@]6C)CC[C@][C@@H]6CCCC6C)C))))))C)))))))))C)))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

---

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: Oleanane triterpenoids

NP-Likeness score: 3.114

---

Chemical structure download