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Molecule Identifiers
Molecular Properties

ID: 137593

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(C)(C)O)CCC2C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.697

InChIKey:
NXMZQPWXOJPXIZ-UHFFFAOYSA-N

ID: 137594

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)C)(CCC=C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -16.103

InChIKey:
JNIVBPRQTKERHU-UHFFFAOYSA-N

ID: 137595

SMILES:
C12(C(=O)C)C(=O)CC(C)(CC1)C(=O)CC(C(=C)C)Cc1c(O)cc(CCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -13.101

InChIKey:
BXKRYZADQAFJCG-UHFFFAOYSA-N

ID: 137596

SMILES:
C(C1(C)C=Cc2c(O)cc(CCCCC)cc2O1)OC(C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.078

InChIKey:
QFZACJCYENTOBT-UHFFFAOYSA-N

ID: 137597

SMILES:
c1(C(C)C)cc2c(c(OC(C)=O)c1)C1C(CCC(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.69

InChIKey:
ULTWTLIRUYZZQI-UHFFFAOYSA-N

ID: 137598

SMILES:
C1(C)(O)CCC(C(C)C)C2c3c(O)cc(CCCCC)cc3OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.961

InChIKey:
CNKSTABSFLNANJ-UHFFFAOYSA-N

ID: 137599

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CCC(C)C1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: Not available

InChIKey:
QTLFAFHFPRKYBF-UHFFFAOYSA-N

ID: 137600

SMILES:
C(c1ccc2c(c1CCCCC)OC2(C)C)(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: Not available

InChIKey:
MWGXRHYXCRDCCI-UHFFFAOYSA-N

ID: 137601

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)cc(O)c(C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.98

InChIKey:
ROAKEATWCLTKMU-UHFFFAOYSA-N

ID: 137602

SMILES:
O(c1c(C2C(c3ccccc3O)C(C(O)CC=C(C)C)(C)C(CC=C(C)C)C2)ccc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -15.088

InChIKey:
KDEBYDQGHUMYAP-UHFFFAOYSA-N

ID: 137603

SMILES:
C1(C)CCC=C(C)C(c2cc(CCCCC)cc(O)c2)C1C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -14.239

InChIKey:
BVMVQMHCFRWRQN-UHFFFAOYSA-N

ID: 137604

SMILES:
OC(C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -18.987

InChIKey:
RDPMPRFPOLSURU-UHFFFAOYSA-N

ID: 137605

SMILES:
COc1c(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.527

InChIKey:
ABPHQODQYTYRRD-UHFFFAOYSA-N

ID: 137606

SMILES:
C1(C)C(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -17.334

InChIKey:
IXAIFSNQLPJOAE-UHFFFAOYSA-N

ID: 137607

SMILES:
C1C(C)=CC(c2c(O)ccc(CC=C(C)C)c2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.406

InChIKey:
LBFHMZJMEPHVGO-UHFFFAOYSA-N

ID: 137608

SMILES:
C1C(C(=C)C)C(c2c(O)c(CCCCC)cc(O)c2)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.027

InChIKey:
BQNCLMCPDSYLAS-UHFFFAOYSA-N

ID: 137609

SMILES:
c12c(cc(CCCCC)cc1OC)OC(C)(C)c1c(O)cc(C)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.754

InChIKey:
UICVEYXRTFSZMG-UHFFFAOYSA-N

ID: 137610

SMILES:
C1(C(C)(C)C)CCC2(C)C1Cc1cc(O)ccc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.007

InChIKey:
HIOAETPTCHTUSQ-UHFFFAOYSA-N

ID: 137611

SMILES:
C(CCn1cccc1C1C(C(=C)C)CCC(CO)=C1)CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 329.528

CB1 binding score: -12.086

InChIKey:
YPOVDGHHYCEDIF-UHFFFAOYSA-N

ID: 137612

SMILES:
c1(C2CC(C)=CC(c3cc(CCCCC)ccc3O)C2C(C)=C)c2c(C)cccc2oc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.616

CB1 binding score: -15.034

InChIKey:
DQXIXSVYMZHJAN-UHFFFAOYSA-N

ID: 137613

SMILES:
C1=CC(C(C)C)C2C(=O)C1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.22

InChIKey:
GNPOMAMHCQGYIZ-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