Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10998
- Core Entity Id
- 15389
- Source Entity Count
- 1
- Preferred Name
- Anticancer flavonoid pmv70p691-101
- Name En
- Pubchem Id
- 73201
- Smiles Canonical
- COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- ORJDDOBAOGKRJV-AWEZNQCLSA-N
- Inchi
- InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
- Isomeric Smiles
- COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1073
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.9110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anticancer Flavonoid PMV70P691-101
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anticancer Flavonoid PMV70P691-101
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-101
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-101
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
牙买加樱桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YA MAI JIA YING TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Jamaica Cherry*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-pinostrobin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-pinostrobin
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-pinostrobin
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-37-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-37-5
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:80491
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:80491
Role
alias
Source
HERB_v2
Preferred
No
Name
Pinocembrin-7-methylether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pinostrobin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pinostrombin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pinostrombin
Role
alias
Source
itcmdb_public
Preferred
No
Name
SZD9LZS694
Role
alias
Source
HERB_v2
Preferred
No
Name
SZD9LZS694
Role
alias
Source
itcmdb_public
Preferred
No
Name
dihydrotectochrysin
Role
alias
Source
HERB_v2
Preferred
No
Name
dihydrotectochrysin
Role
alias
Source
itcmdb_public
Preferred
No
Name
pinocembrin-7-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牙买加樱桃YA MAI JIA YING TAOJamaica Cherry*(-)-pinostrobin(2S)-pinostrobin480-37-5CHEBI:80491Pinocembrin-7-methyletherPinostrobinPinostrombinSZD9LZS694dihydrotectochrysinpinocembrin-7-methyl ether
Cross References
Trusted external identifiers retained for this final record.
Hit
C0519
Herb
HBIN016331
Npass
NPC150648
Tcmid
1406
Pub Chem
73201
Tcmbank
TCMBANKIN000745
Etcm Ingredient
Anticancer Flavonoid PMV70P691-101
Itcmdb Generated
ITX-INGREDIENT-3C59128548F7ITX-INGREDIENT-8F3E16F69185
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
Mol Wt
270.284
Mol Log P
3.107300000000002
In Ch Ikey
ORJDDOBAOGKRJV-AWEZNQCLSA-N
Tcm Name
牙买加樱桃
Tcm Name2
YA MAI JIA YING TAO
Mol2 Path
/TCM_database/2007_3d_all/01406.mol2
Reference
5038
Num Hdonors
1
Tcm Name En
Jamaica Cherry*
Drug Likeness
0.911
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O
Canonical Smiles
COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
Herb Alias Names
Pinostrobin480-37-5Pinostrombindihydrotectochrysin(-)-pinostrobin(2S)-pinostrobinpinocembrin-7-methyl etherPinocembrin-7-methyletherSZD9LZS694CHEBI:80491
Molecular Weight
268.110
Molecular Formula
C17H16O3
Molecular Formula
C16H14O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.953
Quantitative Estimate Of Drug Likeness（Qed）
0.909