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Molecule Identifiers
Molecular Properties

ID: 134527

SMILES:
CC(C)=CCCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -17.792

InChIKey:
XQXQKCYGCUKBSS-UHFFFAOYSA-N

ID: 134528

SMILES:
C1C(O)C(C)(C)Oc2c(c(O)cc(C)c2)C2CC(=C)CCC2C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.809

InChIKey:
NDEXYDQTSULDIJ-UHFFFAOYSA-N

ID: 134529

SMILES:
CC1=CC2(C)CCC(C)C(C)(CCC(C)=CC3c4c(O)cc(CCCCC)cc4O3)OC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.679

CB1 binding score: -16.065

InChIKey:
PCLMIMCVIHQCLA-UHFFFAOYSA-N

ID: 134530

SMILES:
O=C(CC=C(C)CC1OC(=O)C(=C)C1)c1cc2c(cc1)C1C(C(C)(C)O2)C2OC(C)(C1)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.52

CB1 binding score: -13.538

InChIKey:
POSJVWCHDCRGJC-UHFFFAOYSA-N

ID: 134531

SMILES:
c1c(C2C(C(=C)C)C(c3c(O)ccc(CCCCC)c3)CC(C)=C2)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.729

CB1 binding score: -13.371

InChIKey:
HAFZHDHNCPZVQG-UHFFFAOYSA-N

ID: 134532

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C1C(C)CCC1=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.005

InChIKey:
YXSIGINBFGUPOU-UHFFFAOYSA-N

ID: 134533

SMILES:
C(Cc1c(O)cc(O)c2c1-c1cc3c(c(C)c1OC2(C)C)CC1C(C(C)(C)O3)CCC1C)=CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.63

CB1 binding score: -14.826

InChIKey:
APDLCZNOXKLYTF-UHFFFAOYSA-N

ID: 134534

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(C=O)c(O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.779

InChIKey:
IPQSYTZZHONGEG-UHFFFAOYSA-N

ID: 134535

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1C(=O)c1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.496

CB1 binding score: -17.085

InChIKey:
BUQOGUQLXKYKKB-UHFFFAOYSA-N

ID: 134536

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(C)(CCC3C(C)(C)C(O)CC(Br)C3(C)O1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 481.471

CB1 binding score: -13.652

InChIKey:
GGCJSMPFLGWECC-UHFFFAOYSA-N

ID: 134537

SMILES:
Oc1c(CC=C(C)C)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 312.453

CB1 binding score: -18.355

InChIKey:
VFLGTBXMYZAKIC-UHFFFAOYSA-N

ID: 134538

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 134539

SMILES:
C(CCC)Cc1cc(O)c(O)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.388

InChIKey:
HBNKKKSWEWQCJU-UHFFFAOYSA-N

ID: 134540

SMILES:
c1(C(CC2=C(C)CCCC2(C)C)=O)c(O)cc(CCCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.429

InChIKey:
QOBYSAWNAFPPMN-UHFFFAOYSA-N

ID: 134541

SMILES:
c1(O)c(Cl)c(Cl)c(OC)c(O)c1C1C(C(C)=C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 343.25

CB1 binding score: -15.19

InChIKey:
ZQCIXSDFIOJLAG-UHFFFAOYSA-N

ID: 134542

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C2C(C(C)(C)O2)CC=C1C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -13.38

InChIKey:
IFGLCXNUBZRJQE-UHFFFAOYSA-N

ID: 134543

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 134544

SMILES:
Oc1cc(CC=C(CC=CC(C)(OO)C)C)c(O)cc1CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.394

InChIKey:
DOXLNDIARYJWEE-UHFFFAOYSA-N

ID: 134545

SMILES:
C(C)CCCc1cc2c(c(O)c1)C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 134546

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.978

InChIKey:
CHBXMMKWGIOKEK-UHFFFAOYSA-N

ID: 134547

SMILES:
c1c(CC=O)cc2c(c1O)C1C(CCC(C)=C1)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.29

CB1 binding score: -16.538

InChIKey:
GSOQAVVORDSMBI-UHFFFAOYSA-N

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134527–134547 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