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Molecule Identifiers
Molecular Properties

ID: 120562

SMILES:
CC1(C)C2CCC(O)(C)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 120563

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.352

InChIKey:
SCBXGWCGTJNXFA-UHFFFAOYSA-N

ID: 120564

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 120565

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 120566

SMILES:
Oc1cc(O)c(C(C)Cc2ccccc2)cc1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -14.845

InChIKey:
PBGCGNHNLVORNG-UHFFFAOYSA-N

ID: 120567

SMILES:
C1C(=O)C(C)=C2C(=O)c3c(O)c(C(OC)=O)c(CCCCCCCCC)cc3OC12C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.525

CB1 binding score: -15.178

InChIKey:
WSWLYFIUJJULNW-UHFFFAOYSA-N

ID: 120568

SMILES:
CC1(C)Oc2c(c(O)cc(C)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 120569

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(=C)CCC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.778

InChIKey:
GNARFGCCZNKOBZ-UHFFFAOYSA-N

ID: 120570

SMILES:
CC12CCC3C(C)(C)Oc4cc(C)cc(O)c4C3C1=C(C)C(=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.741

InChIKey:
WKBZRMIQQVYXCM-UHFFFAOYSA-N

ID: 120571

SMILES:
C1(C)(C)C2(O)CCC3(C)Oc4c(c(O)cc(C(O)C)c4)C(O)C13C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -15.929

InChIKey:
WRVNQOQKJAQBDJ-UHFFFAOYSA-N

ID: 120572

SMILES:
O1c2cccc(C)c2C2Cc3c(cc(CCCCC)cc3OC)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -14.304

InChIKey:
UEWNWDKOMXTZAM-UHFFFAOYSA-N

ID: 120573

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(CO)CC(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.324

InChIKey:
NRUNPFJCAWCDJM-UHFFFAOYSA-N

ID: 120574

SMILES:
c12c(CCCO)c(CCCCC)cc(O)c1C1(OC(=O)C(C)=C1)CCC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.857

InChIKey:
BOGRBMAZFVPWQP-UHFFFAOYSA-N

ID: 120575

SMILES:
c1(CCC(C)(C=C)O)c2c(c(C)cc1OC)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.574

InChIKey:
KBQRHERUMCSYSC-UHFFFAOYSA-N

ID: 120576

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1(C)C1(C)CCCC21C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.485

InChIKey:
ZKFCVTRWEMUOSE-UHFFFAOYSA-N

ID: 120577

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.426

InChIKey:
AFYMTYORIIJAFV-UHFFFAOYSA-N

ID: 120578

SMILES:
C1(C)(C)Oc2cc(O)c(C)cc2C(O)C2CC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.721

InChIKey:
SLAKKBLYDDOCRA-UHFFFAOYSA-N

ID: 120579

SMILES:
CC(C)(O)C(C12C(O1)C(CC(=C)C)c1c2c(O)cc(CCCCC)c1)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -17.862

InChIKey:
IMDOOSHZPDZURA-UHFFFAOYSA-N

ID: 120580

SMILES:
C1C(C)=CC(c2cc(OC)cc(CCNC(=O)CS(=O)(=O)C)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 405.56

CB1 binding score: -13.468

InChIKey:
DVJHJNQBDUYGKB-UHFFFAOYSA-N

ID: 120581

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -12.616

InChIKey:
CEALWLIDBQINSS-UHFFFAOYSA-N

ID: 120582

SMILES:
C1=C(C)C(O)CC2C(C(Oc3cc(CCCCC)cc(O)c3)=C)(CC(C)(C)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.03

InChIKey:
SAAJIRCOAGKBPJ-UHFFFAOYSA-N

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120562–120582 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