Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8572
- Core Entity Id
- 12697
- Source Entity Count
- 1
- Preferred Name
- 7-oxo-ganoderic acid z
- Name En
- Pubchem Id
- 134715203
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
- Molecular Formula
- C30H46O4
- Molecular Weight
- 470.6940
- Inchikey
- ZNDCXCGTAALLTP-DKYKKQJNSA-N
- Inchi
- InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23-24,32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,24+,28-,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.7228
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Oxo-Ganoderic Acid Z
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Oxo-Ganoderic Acid Z
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-oxo-ganoderic acid Z
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-oxo-ganoderic acid Z
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-oxo-ganoderic acid z
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-oxo-ganoderic acid z
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E,6R)-6-((2S,5S,7R,11R,14R,15R)-5-Hydroxy-2,6,6,11,15-pentamethyl-9-oxotetracyclo(8.7.0.0,.0,)heptadec-1(10)-en-14-yl)-2-methylhept-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,6R)-6-((2S,5S,7R,11R,14R,15R)-5-Hydroxy-2,6,6,11,15-pentamethyl-9-oxotetracyclo(8.7.0.0,.0,)heptadec-1(10)-en-14-yl)-2-methylhept-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50104752
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50104752
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:198855
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:198855
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2203597
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2203597
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0637585
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0637585
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10930
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N10930
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,6R)-6-((2S,5S,7R,11R,14R,15R)-5-Hydroxy-2,6,6,11,15-pentamethyl-9-oxotetracyclo(8.7.0.0,.0,)heptadec-1(10)-en-14-yl)-2-methylhept-2-enoate(E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acidBDBM50104752CHEBI:198855CHEMBL2203597CS-0637585HY-N10930
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013433
Tcmid
37157
Sym Map
SMIT21995
Pub Chem
13471520371461154
Tcmbank
TCMBANKIN031050
Etcm Ingredient
7-oxo-ganoderic acid Z
Itcmdb Generated
ITX-INGREDIENT-8B6AC20E2436ITX-INGREDIENT-8EC6270D2A2A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23-24,32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,24+,28-,29-,30+/m1/s1
Mol Wt
470.6940000000003
Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
Mol Log P
6.722800000000008
Version
v2
In Ch Ikey
ZNDCXCGTAALLTP-DKYKKQJNSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.437
Num Hacceptors
3
Isomeric Smiles
C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
Herb Alias Names
CHEMBL2203597(E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid(2E,6R)-6-((2S,5S,7R,11R,14R,15R)-5-Hydroxy-2,6,6,11,15-pentamethyl-9-oxotetracyclo(8.7.0.0,.0,)heptadec-1(10)-en-14-yl)-2-methylhept-2-enoate(2E,6R)-6-[(2S,5S,7R,11R,14R,15R)-5-Hydroxy-2,6,6,11,15-pentamethyl-9-oxotetracyclo[8.7.0.0,.0,]heptadec-1(10)-en-14-yl]-2-methylhept-2-enoate(E,6R)-6-((3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enoic acidCHEBI:198855BDBM50104752HY-N10930CS-0637585
Molecular Weight
470.340
Molecular Weight
470.7 g/mol
Molecular Formula
C30H46O4
Molecular Formula
C30H46O4
Molecular Formula
C30H46O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.897
Quantitative Estimate Of Drug Likeness（Qed）
0.437