Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29484
- Core Entity Id
- 35957
- Source Entity Count
- 1
- Preferred Name
- Perivine
- Name En
- Pubchem Id
- 6473766
- Smiles Canonical
- CC=C1CNC2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34
- Molecular Formula
- C20H22N2O3
- Molecular Weight
- 338.4070
- Inchikey
- NKTORRNHKYVXSU-XXMLWKDOSA-N
- Inchi
- InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/b11-3-/t13-,16-,18-/m0/s1
- Isomeric Smiles
- C/C=C\1/CN[C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34
- Cas Id
- Ob Score
- Mol Logp
- 2.6203
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Perivine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Perivine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Perivine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
perivine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2673-40-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2673-40-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-25-00-01712 (Beilstein Handbook Reference)
Role
alias
Source
HERB_v2
Preferred
No
Name
4-25-00-01712 (Beilstein Handbook Reference)
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0046952
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0046952
Role
alias
Source
HERB_v2
Preferred
No
Name
G388O8884F
Role
alias
Source
itcmdb_public
Preferred
No
Name
G388O8884F
Role
alias
Source
HERB_v2
Preferred
No
Name
PERIVINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
PERIVINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Perivin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Perivin
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-G388O8884F
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-G388O8884F
Role
alias
Source
HERB_v2
Preferred
No
Name
Vobasan-17-oic acid, 4-demethyl-3-oxo-, methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Vobasan-17-oic acid, 4-demethyl-3-oxo-, methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (1S,14R,15E,18S)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (1S,14R,15E,18S)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2673-40-74-25-00-01712 (Beilstein Handbook Reference)BRN 0046952G388O8884FPERIVINE [MI]PerivinUNII-G388O8884FVobasan-17-oic acid, 4-demethyl-3-oxo-, methyl estermethyl (1S,14R,15E,18S)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039295
Tcmid
16953
Tcm Id
19432035623245
Pub Chem
6473766
Tcmbank
TCMBANKIN030877
Etcm Ingredient
Perivine
Itcmdb Generated
ITX-INGREDIENT-56E66F57B21E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/b11-3-/t13-,16-,18-/m0/s1
Mol Wt
338.407
Smiles
CC=C1CNC2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34
Mol Log P
2.6203
In Ch Ikey
NKTORRNHKYVXSU-XXMLWKDOSA-N
Num Hdonors
2
Drug Likeness
0.619
Num Hacceptors
4
Isomeric Smiles
C/C=C\1/CN[C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34
Canonical Smiles
CC=C1CNC2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34
Herb Alias Names
2673-40-7PerivinVobasan-17-oic acid, 4-demethyl-3-oxo-, methyl esterBRN 0046952UNII-G388O8884FPERIVINE [MI]G388O8884F4-25-00-01712 (Beilstein Handbook Reference)methyl (1S,14R,15E,18S)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Molecular Weight
338.160
Molecular Weight
338.4 g/mol
Molecular Formula
C20H22N2O3
Molecular Formula
C20H22N2O3
Molecular Formula
C20H22N2O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.929
Quantitative Estimate Of Drug Likeness（Qed）
0.619