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Molecule Identifiers
Molecular Properties

ID: 64975

SMILES:
C(CCC(=CCc1c(O)ccc(O)c1)C)=C(Cc1c2c(ccc1O)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.668

CB1 binding score: -16.145

InChIKey:
NLEMOCZJJPNLNJ-UHFFFAOYSA-N

ID: 64976

SMILES:
Oc1c(CC2(C)OC2CO)cc(O)c2c1c1c(cc2O)OC(C)(C)C2C1C=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.509

CB1 binding score: -15.434

InChIKey:
QQMUKEVLNGBVMY-UHFFFAOYSA-N

ID: 64977

SMILES:
C12(c3c(cc(CCCCC)cc3O)OC(C)(C)C1)OC(C(C)(O)Cc1cc(C)co1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.464

InChIKey:
OQKIQIQMSPSAGZ-UHFFFAOYSA-N

ID: 64978

SMILES:
CCCCCc1cc(O)c2c3c1OC(C)(C)C1CCC(C)(CC31)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.559

InChIKey:
IFGNSMRSBGHBPC-UHFFFAOYSA-N

ID: 64979

SMILES:
C(C(CC1Oc2cc(CCC)cc(O)c2C1O)C)(O)C=C(CO)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.428

CB1 binding score: -17.123

InChIKey:
QVUZJTVFYRNMNN-UHFFFAOYSA-N

ID: 64980

SMILES:
C1(C)=CC(c2c(C)cc(O)cc2O)C(C(=O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.605

InChIKey:
XGQSFXQPFZNGDR-UHFFFAOYSA-N

ID: 64981

SMILES:
C12(C)Oc3c(c(O)cc(C(C)CCCCCC)c3)C3CC(C)(C)CC(CC1)C23O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -17.082

InChIKey:
QGFSJFXIVJLSHU-UHFFFAOYSA-N

ID: 64982

SMILES:
C(O)C1=CCC2(C)C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.29

InChIKey:
IDXMWDVVZPDGPI-UHFFFAOYSA-N

ID: 64983

SMILES:
OC(c1c2c(c(O)c(C=O)c1CCCCCC)OC(C)(C)C1CCC(CO)=CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -14.425

InChIKey:
LAUNNABQINSGFJ-UHFFFAOYSA-N

ID: 64984

SMILES:
C(C)(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)c(O)c2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -17.946

InChIKey:
QGVQNZLGXFEIHT-UHFFFAOYSA-N

ID: 64985

SMILES:
CC1(C)Oc2cc(C)c(O)cc2C(COC(=O)CCC)=CC=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.709

InChIKey:
KEKWQGXLMWJTPZ-UHFFFAOYSA-N

ID: 64986

SMILES:
C1C(C)(C)CC(c2c(O)cc(CCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.466

InChIKey:
ZIIJEHAJAOMXFO-UHFFFAOYSA-N

ID: 64987

SMILES:
CCCC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.794

InChIKey:
CCZIRWXXTULCEK-UHFFFAOYSA-N

ID: 64988

SMILES:
CC(C)=C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.74

InChIKey:
GMPJFIZVLYVASO-UHFFFAOYSA-N

ID: 64989

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 64990

SMILES:
C1(c2c(O)cc(CCCCC)cc2)OC(C)(C)C(O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -15.361

InChIKey:
NAIWHWRADKWAGN-UHFFFAOYSA-N

ID: 64991

SMILES:
c1(C)cc(OC)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -14.69

InChIKey:
SIDDCKMLQRERIH-UHFFFAOYSA-N

ID: 64992

SMILES:
C1(C)(C)C(C(C)=C)CCC2(CO)C(O)C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.715

InChIKey:
SYCIEXWZDKTTEX-UHFFFAOYSA-N

ID: 64993

SMILES:
C1(C)(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.474

CB1 binding score: -16.81

InChIKey:
IAIYAROACDIMKQ-UHFFFAOYSA-N

ID: 64994

SMILES:
c1(C)c(O)cc2c(c1)C(C)(C)Oc1c2c(O)cc(C(C(C)(O)CCCCCC)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.259

InChIKey:
LMHAYDMJXXXDPH-UHFFFAOYSA-N

ID: 64995

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(O2)C(O)(C)C2CC3(C(=O)O2)C(C1(C)C)CCC(C)=C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -16.102

InChIKey:
FBMAFGMAZUJFLZ-UHFFFAOYSA-N

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64975–64995 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