Molecule

Cyclopamine

AlkaPlorer ID: AK013135

Synonym: '', '11-Deoxyjervine', 'Cyclopamine'

IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol

Structure

SMILES: CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C

InChI: InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27+/m0/s1

InChIKey: QASFUMOKHFSJGL-YQVODBNLSA-N

Reference

PubChem CID: 86287406

CAS: 4449-51-8

SuperNatural Ⅲ: SN0300267-16

NPASS: NPC43055

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phlomis samia	Phlomis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Albizia julibrissin	Albizia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gloriosa superba	Gloriosa	Colchicaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stevia isomeca	Stevia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melicope ternata	Melicope	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Botryotrichum peruvianum	Botryotrichum	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Leucopaxillus giganteus	Leucopaxillus	Tricholomataceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Tanacetum parthenium	Tanacetum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hohenbuehelia grisea	Hohenbuehelia	Pleurotaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 411.63000000000017

TPSA？: 41.49

MolLogP？: 5.0019000000000045

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi