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Molecule Identifiers
Molecular Properties

ID: 7603

SMILES:
C1C2(c3c(OC(C)=O)cc(CCCCC)cc3O2)CC(C(C)=C)C1(C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.055

InChIKey:
BMVDSXZAGJTAAI-UHFFFAOYSA-N

ID: 7604

SMILES:
C1C(C(=O)O)(C)C2C(C)(CC1)C1C(O)C(C)C3CC=C(C)CC31Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.688

CB1 binding score: -12.013

InChIKey:
IFSFFXNPLCRDKP-UHFFFAOYSA-N

ID: 7605

SMILES:
C1C(C)=C(C)C(C(O)C=C(C)CCC=C(C)C)Oc2c(c(C(=O)O)cc(CCCCC)c2)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.634

CB1 binding score: -14.031

InChIKey:
QYJYTFCBQHDTNX-UHFFFAOYSA-N

ID: 7606

SMILES:
C(CCCCCCc1cc2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.041

InChIKey:
HNFZJQFGYQDMBA-UHFFFAOYSA-N

ID: 7607

SMILES:
Oc1c(C2C=C(C)CCC2C(=C)C)cc(CC=C)c(O)c1C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: -16.235

InChIKey:
YRKWLHZFVNMTBE-UHFFFAOYSA-N

ID: 7608

SMILES:
CC(=CCCC(CO)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.792

InChIKey:
FELSFDDOTYDITC-UHFFFAOYSA-N

ID: 7609

SMILES:
C1(COC(C)=O)(C)C2C(C=C(C)CC2)c2c(cccc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.079

InChIKey:
RQUNNLZBNBGCOI-UHFFFAOYSA-N

ID: 7610

SMILES:
CC1=C2CCC(C=O)=CC2c2c(cc(CCCCC)cc2O)OC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.871

InChIKey:
NLMWANFATVSIDF-UHFFFAOYSA-N

ID: 7611

SMILES:
COc1cc2c(cc1CCCCC)OC(C)(C)C1=CC(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.22

InChIKey:
PPDALASDTCUAHV-UHFFFAOYSA-N

ID: 7612

SMILES:
c1(OC)c(O)c(C2C=C(C)CCC2C(C)=C)c(-c2ccccc2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.459

CB1 binding score: -18.264

InChIKey:
KHPFEMQINLZBCG-UHFFFAOYSA-N

ID: 7613

SMILES:
CC1(CC=CC(O)(C)C)C(Cc2cc(O)ccc2O)C(=C)CCC1Br

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 409.364

CB1 binding score: -17.465

InChIKey:
YOLWTEJCDKVDQJ-UHFFFAOYSA-N

ID: 7614

SMILES:
C(CC)Cc1cc2c(cc1O)C1CC(C)(CCC1C(=C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.82

InChIKey:
JKRILJZPDZAUDZ-UHFFFAOYSA-N

ID: 7615

SMILES:
C(C=C(C)C)C1C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.191

InChIKey:
MGLWJJVAJQPDLK-UHFFFAOYSA-N

ID: 7616

SMILES:
C(=O)(C1(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC2)CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.906

InChIKey:
NNGVVRUFRJBPRS-UHFFFAOYSA-N

ID: 7617

SMILES:
O(C1CC2C(C1(C)C)C(O)C(O)C1C2COc2cc(CCCCC)cc(O)c21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -14.808

InChIKey:
BSEDVNGCZHXIQP-UHFFFAOYSA-N

ID: 7618

SMILES:
c1(O)cc(CCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -19.327

InChIKey:
GGVVJZIANMUEJO-UHFFFAOYSA-N

ID: 7619

SMILES:
C1(C)(C)Oc2cc(C)c(OC)cc2C2(C)C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -16.274

InChIKey:
OUCDFESTHJMWKF-UHFFFAOYSA-N

ID: 7620

SMILES:
C(=CCC1C(C)(C)Oc2cc(OC)cc(C)c21)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.826

InChIKey:
RNRQKAXQRGQSKJ-UHFFFAOYSA-N

ID: 7621

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1OC3C(C)(CCC1C(C)(O2)C3O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.546

CB1 binding score: -17.973

InChIKey:
LBBRNIQLPLTRSM-UHFFFAOYSA-N

ID: 7622

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(O)=O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -18.745

InChIKey:
VRZWHTKBFZGYJJ-UHFFFAOYSA-N

ID: 7623

SMILES:
CC1(C)C2C3C(C)(Oc4c(c(O)cc(CCCCC)c4)C3C2)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.502

InChIKey:
QZKQMJZXIDJDCY-UHFFFAOYSA-N

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7603–7623 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