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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19816
- Core Entity Id
- 25207
- Source Entity Count
- 1
- Preferred Name
- Ganoderiol c
- Name En
- Pubchem Id
- 15602259
- Smiles Canonical
- CCOC1CC2C(C(=O)CCC2(C3=C1C4(CCC(C4(CC3)C)C(C)CCC(C(C)(CO)O)O)C)C)(C)C
- Molecular Formula
- C32H54O5
- Molecular Weight
- 518.7790
- Inchikey
- NBPAZLNDCXUMSM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H54O5/c1-9-37-23-18-24-28(3,4)25(34)14-15-29(24,5)22-13-16-30(6)21(12-17-31(30,7)27(22)23)20(2)10-11-26(35)32(8,36)19-33/h20-21,23-24,26,33,35-36H,9-19H2,1-8H3
- Isomeric Smiles
- CCOC1CC2C(C(=O)CCC2(C3=C1C4(CCC(C4(CC3)C)C(C)CCC(C(C)(CO)O)O)C)C)(C)C
- Cas Id
- 114567-44-1
- Ob Score
- 25.2058
- Mol Logp
- 5.8403
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganoderiol C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ganoderiol C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderiol c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderiol c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ganoderiol C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ganoderiol C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(7I+/-)-7-Ethoxy-24,25,26-trihydroxylanost-8-en-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7I+/-)-7-Ethoxy-24,25,26-trihydroxylanost-8-en-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
114567-44-1
Role
alias
Source
HERB_v2
Preferred
No
Name
114567-44-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-ethoxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-ethoxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7a-Ethoxy-24,25,26-trihydroxy-8-lanosten-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7a-Ethoxy-24,25,26-trihydroxy-8-lanosten-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:172728
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:172728
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501227989
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501227989
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(7I+/-)-7-Ethoxy-24,25,26-trihydroxylanost-8-en-3-one114567-44-17-ethoxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one7a-Ethoxy-24,25,26-trihydroxy-8-lanosten-3-oneCHEBI:172728DTXSID501227989
Cross References
Trusted external identifiers retained for this final record.
Cas
114567-44-1
Herb
HBIN027288
Tcmsp
MOL011232
Sym Map
SMIT12160
Pub Chem
15602259
Tcmbank
TCMBANKIN016786
Etcm Ingredient
ganoderiol C
Itcmdb Generated
ITX-INGREDIENT-38917F79D236
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C32H54O5/c1-9-37-23-18-24-28(3,4)25(34)14-15-29(24,5)22-13-16-30(6)21(12-17-31(30,7)27(22)23)20(2)10-11-26(35)32(8,36)19-33/h20-21,23-24,26,33,35-36H,9-19H2,1-8H3
Mol Wt
518.7790000000003
Cas Id
114567-44-1
Smiles
CCOC1CC2C(C(=O)CCC2(C3=C1C4(CCC(C4(CC3)C)C(C)CCC(C(C)(CO)O)O)C)C)(C)C
Mol Log P
5.840300000000009
Version
v1,v2
In Ch Ikey
NBPAZLNDCXUMSM-UHFFFAOYSA-N
Ob Score
25.205771825.20577225.206
Suppress
0
Num Hdonors
3
Drug Likeness
0.351
Num Hacceptors
5
Isomeric Smiles
CCOC1CC2C(C(=O)CCC2(C3=C1C4(CCC(C4(CC3)C)C(C)CCC(C(C)(CO)O)O)C)C)(C)C
Molecule Weight
518.86
Canonical Smiles
CCOC1CC2C(C(=O)CCC2(C3=C1C4(CCC(C4(CC3)C)C(C)CCC(C(C)(CO)O)O)C)C)(C)C
Herb Alias Names
CHEBI:172728DTXSID501227989114567-44-17a-Ethoxy-24,25,26-trihydroxy-8-lanosten-3-one(7I+/-)-7-Ethoxy-24,25,26-trihydroxylanost-8-en-3-one7-ethoxy-4,4,10,13,14-pentamethyl-17-(5,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Weight
518.400
Molecular Weight
518.77
Molecular Formula
C32H54O5
Molecular Formula
C32H54O5
Molecular Formula
C32H54O5
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.854
Quantitative Estimate Of Drug Likeness（Qed）
0.351