Cannabitriol, (+-)
(9S,10S)-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,9,10-triol
Molecular Identity
Cannabitriol, (+-)
(9S,10S)-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,9,10-triol
PubChem CID: 155804790
2D Structure
Properties
C20H28O4
Molecular Formula
332.40
Molecular Weight
g/mol
332.1988
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
69.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
484
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCC1=CC(=C2C(=C1)OC(C3=C2C(C(CC3)O)O)(C)C)OIsomeric SMILES
SMILES: CCCCCC1=CC(=C2C(=C1)OC(C3=C2[C@@H]([C@H](CC3)O)O)(C)C)OSynonyms(9)
FV3E92D97VCBT6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL, 7,8,9,10-TETRAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, TRANSCannabitriol, (+-)RefChem:31325(+-)-TRANS-CANNABITRIOLUNII-FV3E92D97VCANNABITRIOL, (+/-)-(+/-)-TRANS-CANNABITRIOL
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cannabitriol, (+-)
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