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Molecule Identifiers
Molecular Properties

ID: 137740

SMILES:
C1CC(C)=CCC(C(=C)C)CCc2cc(cc(CCCCC)c2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.358

InChIKey:
LBMWTTDJFMAHRN-UHFFFAOYSA-N

ID: 137741

SMILES:
c12c(c(O)cc(C(=C)C)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -14.934

InChIKey:
JTJFFNPBAHVOKU-UHFFFAOYSA-N

ID: 137742

SMILES:
C(c1c2c(OC)cc(O)c1C(=O)OC(C)(C)C(O)CCC(C)=CC2)CCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.22

InChIKey:
DIVNKBNBRMSGAQ-UHFFFAOYSA-N

ID: 137743

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -18.336

InChIKey:
UJSSSFNGQWZNEN-UHFFFAOYSA-N

ID: 137744

SMILES:
C(=CCc1cc2c(cc1C)OC(C)(C)C1C2CC(CO)=CC1=O)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -12.476

InChIKey:
JWBDDSYXUKZQGI-UHFFFAOYSA-N

ID: 137745

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2C)CC(C)=CCC2C1C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.167

InChIKey:
TUAFCNSTTBXZPI-UHFFFAOYSA-N

ID: 137746

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 137747

SMILES:
Oc1c(C(C(C)CC)=O)c2c(c(O)c1)C1C(C(CO)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.751

InChIKey:
YGSGOANPAZAYBE-UHFFFAOYSA-N

ID: 137748

SMILES:
CC1(C)C(C)(CC=CC(C)(C)O)CCC(=C)CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.578

InChIKey:
IBAUFOJEKDJZSQ-UHFFFAOYSA-N

ID: 137749

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC1CCC(O)(C)C3C(C(C)CC3)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.646

InChIKey:
XUXQEVZZVNALPJ-UHFFFAOYSA-N

ID: 137750

SMILES:
C1(O)(C)C2C(CC1)C(C)(C)Oc1cc(OC)cc(O)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -17.288

InChIKey:
XPXJYDQUDVLUCX-UHFFFAOYSA-N

ID: 137751

SMILES:
C1(=O)C2=C(CO1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.132

InChIKey:
XTJRCQJVBGAUAN-UHFFFAOYSA-N

ID: 137752

SMILES:
C1Cc2c(O)cc(CC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.285

CB1 binding score: -16.827

InChIKey:
QQLAQRCSGWPCHQ-UHFFFAOYSA-N

ID: 137753

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 137754

SMILES:
C1(C)(C)C2C=CC(C)CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.842

InChIKey:
LYHDJNVGCYSLDO-UHFFFAOYSA-N

ID: 137755

SMILES:
CC1(C)CCCC2(C)C1C(O)c1c(O)cc(C(C)C(C)O)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.045

InChIKey:
AJGIOCVILYXYJR-UHFFFAOYSA-N

ID: 137756

SMILES:
C(Cc1cc(OC)c(O)c2c1OC(C)(C)C1C(O)CC(C)(O)CC12)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -13.399

InChIKey:
IDTUCKRQOVJNLS-UHFFFAOYSA-N

ID: 137757

SMILES:
C12C(C)(C)CC(O)CC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.748

InChIKey:
VZCNVMVFIRXRPA-UHFFFAOYSA-N

ID: 137758

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(OO)CCC1C(C)C)C(=O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.16

InChIKey:
DJFMUDPDCKMVFF-UHFFFAOYSA-N

ID: 137759

SMILES:
C1=C(C)C(O)CC2C(C)(C)Oc3cc(CCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.633

InChIKey:
VRJSFNBMFYGBJQ-UHFFFAOYSA-N

ID: 137760

SMILES:
C(C)(C)c1c(O)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.457

InChIKey:
ABZCUPNSADQFMZ-UHFFFAOYSA-N

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Molecule Overview

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