Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19796
- Core Entity Id
- 25185
- Source Entity Count
- 1
- Preferred Name
- Ganoderic acid mi
- Name En
- Pubchem Id
- 131751712
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC)C)C)O
- Molecular Formula
- C33H52O6
- Molecular Weight
- 544.7730
- Inchikey
- DOGNEMJACWRRLK-NDENLUEZSA-N
- Inchi
- InChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12-
- Isomeric Smiles
- CC(CC/C=C(/C)\C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC)C)C)O
- Cas Id
- 110024-16-3
- Ob Score
- 34.3950
- Mol Logp
- 6.7103
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganoderic Acid Mi
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ganoderic Acid Mi
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderic acid mi
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderic acid mi
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ganoderic acid Mi
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ganoderic acid Mi
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(Z)-6-(3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-6-(3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
22-Acetoxy-3alpha-hydroxy-7alpha-methoxy-5alpha-lanosta-8,24E-dien-26-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
22-Acetoxy-3alpha-hydroxy-7alpha-methoxy-5alpha-lanosta-8,24E-dien-26-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Acetoxy-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Acetoxy-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:175998
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:175998
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-6-(3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid22-Acetoxy-3alpha-hydroxy-7alpha-methoxy-5alpha-lanosta-8,24E-dien-26-oic acid3-Acetoxy-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acidCHEBI:175998
Cross References
Trusted external identifiers retained for this final record.
Cas
110024-16-3
Herb
HBIN027259
Tcmsp
MOL011209
Sym Map
SMIT12137
Pub Chem
131751712
Tcmbank
TCMBANKIN008575
Etcm Ingredient
ganoderic acid Mi
Itcmdb Generated
ITX-INGREDIENT-B363A585FD46
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12-
Mol Wt
544.7730000000004
Cas Id
110024-16-3
Smiles
CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC)C)C)O
Mol Log P
6.710300000000008
Version
v1,v2
In Ch Ikey
DOGNEMJACWRRLK-NDENLUEZSA-N
Ob Score
34.39534.39537134.39537114
Suppress
0
Num Hdonors
2
Drug Likeness
0.21
Num Hacceptors
5
Isomeric Smiles
CC(CC/C=C(/C)\C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC)C)C)O
Molecule Weight
528.85
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC)C)C)O
Herb Alias Names
CHEBI:1759983-Acetoxy-15-hydroxy-7-methoxylanosta-8,24-dien-26-oic acid22-Acetoxy-3alpha-hydroxy-7alpha-methoxy-5alpha-lanosta-8,24E-dien-26-oic acid(Z)-6-(3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Molecular Weight
528.380
Molecular Weight
544.76
Molecular Formula
C33H52O5
Molecular Formula
C33H52O6
Molecular Formula
C33H52O6
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.230
Quantitative Estimate Of Drug Likeness（Qed）
0.272