Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25615
- Core Entity Id
- 31667
- Source Entity Count
- 1
- Preferred Name
- Manwuweizic acid
- Name En
- Pubchem Id
- 138111948
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C
- Molecular Formula
- C30H46O4
- Molecular Weight
- 470.6940
- Inchikey
- SOWPPACPMKVOEL-XKHWUHGNSA-N
- Inchi
- InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,22-23H,1,8-9,11-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,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=C2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.8038
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Manwuweizic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Manwuweizic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Manwuweizic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
manwuweizic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0889966
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0889966
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N11927
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N11927
Role
alias
Source
HERB_v2
Preferred
No
Name
Manwuweizicacid
Role
alias
Source
HERB_v2
Preferred
No
Name
Manwuweizicacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
manwuweizicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acidCS-0889966HY-N11927Manwuweizicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034441
Tcmid
1351531496
Pub Chem
13811194814104874
Tcmbank
TCMBANKIN008588
Etcm Ingredient
Manwuweizic acid
Itcmdb Generated
ITX-INGREDIENT-6EB2E824C294
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,22-23H,1,8-9,11-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22+,23-,28+,29-,30+/m1/s1
Mol Wt
470.6940000000004
Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C
Mol Log P
7.803800000000008
In Ch Ikey
SOWPPACPMKVOEL-XKHWUHGNSA-N
Num Hdonors
2
Drug Likeness
0.266
Num Hacceptors
2
Isomeric Smiles
C[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C
Herb Alias Names
(Z,6R)-6-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acidManwuweizicacidHY-N11927CS-0889966
Molecular Weight
470.340
Molecular Weight
470.7 g/mol
Molecular Formula
C30H46O4
Molecular Formula
C30H46O4
Molecular Formula
C30H46O4
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.043
Quantitative Estimate Of Drug Likeness（Qed）
0.339