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Molecule Identifiers
Molecular Properties

ID: 75055

SMILES:
C(CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.345

InChIKey:
ZKBSQOWILIGMML-UHFFFAOYSA-N

ID: 75056

SMILES:
C(CC(OCC1=CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -16.812

InChIKey:
SSVKAPZNORTTCQ-UHFFFAOYSA-N

ID: 75057

SMILES:
C(CCCCCCC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.824

InChIKey:
SNQWHXRTUXZXPM-UHFFFAOYSA-N

ID: 75058

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 75059

SMILES:
CC1(C)Oc2c(ccc(CCCCC)c2O)-c2cc(C=O)ccc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: -16.379

InChIKey:
CVLHOOSJZMDDFD-UHFFFAOYSA-N

ID: 75060

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -18.015

InChIKey:
MKVVAJLTEGSLKJ-UHFFFAOYSA-N

ID: 75061

SMILES:
C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(CO)=CC2)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.036

InChIKey:
CQASUBMQLYDLEV-UHFFFAOYSA-N

ID: 75062

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.749

InChIKey:
KKGVTEZJDRKWNJ-UHFFFAOYSA-N

ID: 75063

SMILES:
C1(C(C)C)C=CC2(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.754

InChIKey:
HSTRCOFJQGPBIT-UHFFFAOYSA-N

ID: 75064

SMILES:
c1(CCCCC)cc(O)c2c3c1C(=O)CC(C(C)=C)C3C=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.633

InChIKey:
PCUYBXWXLZMINL-UHFFFAOYSA-N

ID: 75065

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.71

InChIKey:
RPIKXPGMHUFRBJ-UHFFFAOYSA-N

ID: 75066

SMILES:
C12C(C)COC1(C)Oc1cc(C)c(-c3c(O)cc(CCCCC)cc3O)cc12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -14.145

InChIKey:
DFDXWGVXTFJLDP-UHFFFAOYSA-N

ID: 75067

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75068

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.559

CB1 binding score: -18.074

InChIKey:
XJNWDFKQIJOXOC-UHFFFAOYSA-N

ID: 75069

SMILES:
O1C(C)(C)C(O)Cc2c1c(O)c(C)c(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -14.249

InChIKey:
GIJLJPLJAFECPD-UHFFFAOYSA-N

ID: 75070

SMILES:
CC12OC13OC(C)(CCC1C(C)(C)Oc4cc(CCCCC)cc(O)c41)C3C=C2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -15.651

InChIKey:
XVMGUJFMAWLRIP-UHFFFAOYSA-N

ID: 75071

SMILES:
CC(C)(C1C(=O)C(c2c(O)cc(CCCCC)cc2O)C2(C)CCCC(C)(C)C2C1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -16.298

InChIKey:
VEVZKWGBXBFNFN-UHFFFAOYSA-N

ID: 75072

SMILES:
Oc1c(CC=C(C)C)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.281

InChIKey:
XRMAOXZXTDWHKU-UHFFFAOYSA-N

ID: 75073

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.592

CB1 binding score: -14.88

InChIKey:
DPUCJGXQGZBNSH-UHFFFAOYSA-N

ID: 75074

SMILES:
OC(C)(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 75075

SMILES:
CC1(C)Oc2c(cc(CCCCC)cc2O)C2C1C(C)=CC(OC(=O)CC)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -13.249

InChIKey:
XUIOIQNANYRLLM-UHFFFAOYSA-N

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75055–75075 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