ITCMDBv1
IngredientID 19764

Ganoderan b

C30H46O3

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Ingredient: 1Target: 9Links: 9
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
19764
Core Entity Id
25148
Source Entity Count
1
Preferred Name
Ganoderan b
Name En
Pubchem Id
14015440
Smiles Canonical
CC(CCC=C(C)C=O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
Molecular Formula
C30H46O3
Molecular Weight
454.6950
Inchikey
ALBRPHJUQRKZLQ-DJKKODMXSA-N
Inchi
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,23-24,32H,8,10-17H2,1-7H3/b19-9+
Isomeric Smiles
CC(CC/C=C(\C)/C=O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
Cas Id
114020-55-2
Ob Score
42.1930
Mol Logp
6.8371
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
5
Drug Likeness
0.2810
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Ganoderal B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ganoderan B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ganoderal B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderal b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ganoderal b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderan B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderan b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ganoderan b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ganoderal B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ganoderal B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ganoderan B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ganoderan B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-Ganoderal B
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Ganoderal B
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7I+/-,24E)-7-Hydroxy-3-oxolanosta-8,24-dien-26-al
Role
alias
Source
HERB_v2
Preferred
No
Name
(7I+/-,24E)-7-Hydroxy-3-oxolanosta-8,24-dien-26-al
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
114020-55-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
114020-55-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:172033
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:172033
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901242226
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID901242226
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Ganoderal B(+)-Ganoderal B(7I+/-,24E)-7-Hydroxy-3-oxolanosta-8,24-dien-26-al(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enal114020-55-2CHEBI:172033DTXSID901242226

Cross References

Trusted external identifiers retained for this final record.

Cas
114020-55-2
Herb
HBIN027217HBIN027218
Tcmsp
MOL011171MOL011172
Sym Map
SMIT12102SMIT12103
Pub Chem
1401544014015441
Tcmbank
TCMBANKIN013754TCMBANKIN028079
Etcm Ingredient
ganoderal Bganoderan B
Itcmdb Generated
ITX-INGREDIENT-5FC22CE7E6DDITX-INGREDIENT-868376A7777B

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,23-24,32H,8,10-17H2,1-7H3/b19-9+InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,23-24,32H,8,10-17H2,1-7H3/b19-9+/t20-,21-,23-,24+,28-,29-,30+/m1/s1
Mol Wt
454.6950000000003
Cas Id
114020-55-2
Smiles
CC(CCC=C(C)C=O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
Mol Log P
6.837100000000009
Version
v1,v2
In Ch Ikey
ALBRPHJUQRKZLQ-DJKKODMXSA-NALBRPHJUQRKZLQ-VSMNUCEVSA-N
Ob Score
42.1929605942.19296142.19342.55984142.5598413142.56
Suppress
0
Num Hdonors
1
Drug Likeness
0.281
Num Hacceptors
3
Isomeric Smiles
CC(CC/C=C(\C)/C=O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)CC[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C
Molecule Weight
440.73454.76
Canonical Smiles
CC(CCC=C(C)C=O)C1CCC2(C1(CCC3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
Herb Alias Names
(+)-Ganoderal B(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enal(E)-6-(7-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enalCHEBI:172033
Molecular Weight
440.330454.340
Molecular Weight
454.68
Molecular Formula
C29H44O3C30H46O3
Molecular Formula
C30H46O3
Molecular Formula
C30H46O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.9090.921
Quantitative Estimate Of Drug Likeness（Qed）
0.2810.304