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Molecule Identifiers
Molecular Properties

ID: 33202

SMILES:
O=C(CO)c1c(C(OC)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.406

CB1 binding score: Not available

InChIKey:
UJGSVYQQUKLFOG-UHFFFAOYSA-N

ID: 33203

SMILES:
C1=C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.215

InChIKey:
JAEAERWWIUMZKV-UHFFFAOYSA-N

ID: 33204

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 33205

SMILES:
CC1CCCC2(C)c3c(cc(C(C)(CC)CCCC)cc3)C=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.552

CB1 binding score: -15.12

InChIKey:
MMMRYDRIKXOGPN-UHFFFAOYSA-N

ID: 33206

SMILES:
c1(CCCCC)ccc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 33207

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 33208

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.878

InChIKey:
GUXGXKFPIHIMLU-UHFFFAOYSA-N

ID: 33209

SMILES:
C(C)CCCc1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.716

InChIKey:
MMMBBXWSLJXQAV-UHFFFAOYSA-N

ID: 33210

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(O)(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 33211

SMILES:
C(=CC(O)(C)C)C=C1COc2cc(CCCCC)cc(O)c2C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.934

InChIKey:
ZYFLBKXJGYDLNJ-UHFFFAOYSA-N

ID: 33212

SMILES:
CC1=CC2C(CC(O)C1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.235

InChIKey:
HRWVBCRRVQEFTP-UHFFFAOYSA-N

ID: 33213

SMILES:
c1(CCCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 33214

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)(O)C1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -17.069

InChIKey:
PAEIGIJJBBPJFT-UHFFFAOYSA-N

ID: 33215

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)CCC=C(CO)CO)C=C2)CC(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -16.078

InChIKey:
HIBJVBWDZSSFKP-UHFFFAOYSA-N

ID: 33216

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2)CCCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -12.111

InChIKey:
BTGJZGMFMDNFNV-UHFFFAOYSA-N

ID: 33217

SMILES:
C(C1(C)C(C)Oc2c(c(O)cc(CCCC)c2)C1)=CC=C(CCCC(C)(C)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -12.787

InChIKey:
BNOUPBMTGSFMBF-UHFFFAOYSA-N

ID: 33218

SMILES:
O1C(C(O)(C)C)CC23C(CCC2(C)O)c2c(O)cc(C)cc2OC13C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -18.847

InChIKey:
MZGFKFHMBFTMTK-UHFFFAOYSA-N

ID: 33219

SMILES:
C1(C)(C2CO2)CCC(C(=C)C)C1c1c(O)cc(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.159

InChIKey:
GKTPBTZOCLQXFO-UHFFFAOYSA-N

ID: 33220

SMILES:
C(Cc1c(CCCCC)cc2c(c1O)C1C(CC2)C(C)(C)O1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -12.77

InChIKey:
FAYVDLHZXNLKCS-UHFFFAOYSA-N

ID: 33221

SMILES:
O1c2cc(CCCCC)ccc2C2CC(C)=CC(=O)C2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -14.407

InChIKey:
AJFYJRNIPQLWON-UHFFFAOYSA-N

ID: 33222

SMILES:
C1C(C)=C(CCC(C)=CCCC2(C)C=Cc3c(c(C)cc(O)c3)O2)C(=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -14.288

InChIKey:
OAECFRSPQPDMPN-UHFFFAOYSA-N

1579158015811582158315841585
33202–33222 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties