Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 10Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19819
- Core Entity Id
- 25211
- Source Entity Count
- 1
- Preferred Name
- Ganoderiol f
- Name En
- Pubchem Id
- 146156502
- Smiles Canonical
- CC(CCC=C(CO)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
- Molecular Formula
- C30H46O3
- Molecular Weight
- 454.6950
- Inchikey
- JVGJXXNUVVQEIG-MCKXIFHVSA-N
- Inchi
- InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
- Cas Id
- 114567-47-4
- Ob Score
- 38.1206
- Mol Logp
- 6.4081
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4560
- Polar Surface Area
- 58.0000
- Molecular Volume
- 357.0000
- Alogp
- 6.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganoderiol F
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderiol F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ganoderiol F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ganoderiol f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderiol f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
灵芝(赤芝)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LING ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lucid Ganoderma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(5R,10S,13R,14R,17R)-17-((2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta(a)phenanthren-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5R,10S,13R,14R,17R)-17-[(1R)-6-hydroxy-1-methyl-5-methylol-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(5R,10S,13R,14R,17R)-17-[(1R)-6-hydroxy-5-(hydroxymethyl)-1-methylhex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
114567-47-4
Role
alias
Source
HERB_v2
Preferred
No
Name
114567-47-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
114567-47-4
Role
alias
Source
TCMBank
Preferred
No
Name
26,27-Dihydroxylanosta-7,9(11),24-trien-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
26,27-Dihydroxylanosta-7,9(11),24-trien-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
26,27-Dihydroxylanosta-7,9(11),24-trien-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-070765
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1915761
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1915761
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00921423
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00921423
Role
alias
Source
HERB_v2
Preferred
No
Name
Gaderiol F
Role
alias
Source
HERB_v2
Preferred
No
Name
Gaderiol F
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lanosta-7,9(11),24-trien-3-one, 26,27-dihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lanosta-7,9(11),24-trien-3-one, 26,27-dihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL902833
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL902833
Role
alias
Source
itcmdb_public
Preferred
No
Name
ganoderiol f
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
灵芝(赤芝)LING ZHILucid Ganoderma(5R,10S,13R,14R,17R)-17-((2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta(a)phenanthren-3-one(5R,10S,13R,14R,17R)-17-[(1R)-6-hydroxy-1-methyl-5-methylol-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one(5R,10S,13R,14R,17R)-17-[(1R)-6-hydroxy-5-(hydroxymethyl)-1-methylhex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one(5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one114567-47-426,27-Dihydroxylanosta-7,9(11),24-trien-3-oneAIDS-070765CHEMBL1915761DTXSID00921423Gaderiol FLanosta-7,9(11),24-trien-3-one, 26,27-dihydroxy-SCHEMBL902833
Cross References
Trusted external identifiers retained for this final record.
Cas
114567-47-4
Herb
HBIN027291
Npass
NPC311092
Tcmid
8184
Tcmsp
MOL011235
Sym Map
SMIT12163SMIT15492
Pub Chem
146156502156022654710085317514
Tcmbank
TCMBANKIN041813
Etcm Ingredient
Ganoderiol F
Itcmdb Generated
ITX-INGREDIENT-578F8011FE0A
Attributes
Merged source attributes and domain-specific metadata.
Alog P
6
In Ch I
InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1
Mol Wt
454.6950000000003
Cas Id
114567-47-4
37 Flag
37
C Count
30
Mol Log P
6.408100000000007
N Count
0
O Count
3
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
JVGJXXNUVVQEIG-MCKXIFHVSA-N
Ob Score
38.1206239138.12062438.121
Suppress
1
Tcm Name
灵芝(赤芝)
Tcm Name2
LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/08185.mol2
Reference
2235
Num Hdonors
2
Tcm Name En
Lucid Ganoderma
Num H Donors
2
Drug Likeness
0.456
Num Hacceptors
3
Isomeric Smiles
C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
Molecule Weight
454.76
Num H Acceptors
3
Canonical Smiles
CC(CCC=C(CO)CO)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
Herb Alias Names
114567-47-426,27-Dihydroxylanosta-7,9(11),24-trien-3-one(5R,10S,13R,14R,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-oneCHEMBL1915761DTXSID00921423Gaderiol F(5R,10S,13R,14R,17R)-17-((2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta(a)phenanthren-3-oneLanosta-7,9(11),24-trien-3-one, 26,27-dihydroxy-SCHEMBL902833
Molecular Weight
454.340
Molecular Volume
357
Molecular Weight
455
Molecule Formula
C30H46O3
Molecular Formula
C30H46O3
Molecular Formula
C30H46O3
Num Rotatable Bonds
6
Link Ingredient Id
12163.0
Num Rotatable Bonds
6
Molecular Polar Surface Area
58
Fda Maximum Daily Dose (Fdamdd)
0.833
Quantitative Estimate Of Drug Likeness（Qed）
0.456