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Molecule Identifiers
Molecular Properties

ID: 138979

SMILES:
C(C)(C1C(c2c(O)cc(CCCCC)cc2OC)CC(C)=CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.456

InChIKey:
ZRGXJCFUZBJMRM-UHFFFAOYSA-N

ID: 138980

SMILES:
O1c2c(c(O)cc(C)c2)C(C2(CC=C(C)C)OC(C)(C)C=C2C)C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.644

InChIKey:
CHKKWJQRJIBJGP-UHFFFAOYSA-N

ID: 138981

SMILES:
Oc1cc(CCCC)cc2c1C1C(CC=C(C)C1)C(O)(COC(=O)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.038

InChIKey:
DFWOZMAKGPUNOK-UHFFFAOYSA-N

ID: 138982

SMILES:
C1C(C(C)(C)O)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 138983

SMILES:
C(C(=O)Oc1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(C=O)CC1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.84

InChIKey:
XTGLBFFDVKDSBR-UHFFFAOYSA-N

ID: 138984

SMILES:
C(C=C)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.939

InChIKey:
KKEUWSQKAVREFH-UHFFFAOYSA-N

ID: 138985

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC1(C)CCCC(C)(C)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.615

InChIKey:
IQKGHLTXTPDDJD-UHFFFAOYSA-N

ID: 138986

SMILES:
C1(C)(C)Oc2c(c(OC(=O)C)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 138987

SMILES:
c1(O)c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCc2ccccc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 138988

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C(O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.351

InChIKey:
HTKVIXNEUIEPLQ-UHFFFAOYSA-N

ID: 138989

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -17.825

InChIKey:
SBNHDVINUVKXIY-UHFFFAOYSA-N

ID: 138990

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -16.734

InChIKey:
HKNNHWLJORBKQK-UHFFFAOYSA-N

ID: 138991

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.352

InChIKey:
SCBXGWCGTJNXFA-UHFFFAOYSA-N

ID: 138992

SMILES:
c1(O)c2c(c(O)c(C(=O)CO)c1)CC1CC=C(CCC=C(C)C)CCC21C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.639

InChIKey:
RNYBWQLVEQFQGQ-UHFFFAOYSA-N

ID: 138993

SMILES:
c1(C(O)CCCCC)cc2c(c(O)c1)C1C=C(CCC=C(C)C)CC1CC1C(C)(C)CCCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.76

CB1 binding score: -14.435

InChIKey:
IOJDBNJIQXJXSD-UHFFFAOYSA-N

ID: 138994

SMILES:
c1(C)cc(CO)c2c(c1O)CCC(CCC=C(C)CC1c3c(O)cc(CCCCC)cc3O1)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -16.827

InChIKey:
LUHNVYZMBAPHPD-UHFFFAOYSA-N

ID: 138995

SMILES:
C(=CCc1c(O)cc(CCCCC)c(O)c1O)(C=CC1=C(C)CCCC1(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.798

InChIKey:
JFVFKNVKEJDCNV-UHFFFAOYSA-N

ID: 138996

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=CCC(C)(O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.416

InChIKey:
IFCIJOURIRPSCC-UHFFFAOYSA-N

ID: 138997

SMILES:
O=C(c1cc(CCCCC)cc(O)c1CC=C(C)C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.466

InChIKey:
PTTJMBLHWFCZFE-UHFFFAOYSA-N

ID: 138998

SMILES:
c12c(O)cc(CCCCC)cc1OC(CCC=C(CO)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.94

InChIKey:
BGLRGVYNEUIEHF-UHFFFAOYSA-N

ID: 138999

SMILES:
CC(=CCCC1(C)Oc2c(CCC)cc(O)c(O)c2C=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.118

InChIKey:
ORRLCGHMXRMPAY-UHFFFAOYSA-N

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138979–138999 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